1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2002-02-18 to 2002-02-27

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2002

Report date:

2002

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

EC Number:

614-396-3

Cas Number:

68298-12-4

Molecular formula:

C5H4F9NO2S

IUPAC Name:

1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

Specific details on test material used for the study:

- Physical state: White Crystals
- Analytical purity: 97.25%
- Storage condition of test material: ambient

Results and discussion

Water solubility

Key result

Water solubility:

359 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

4 500 mg/L

Incubation duration:

3 d

Temp.:

24 °C

Remarks on result:

other: % RSD = 5.6%, pH not determined

Details on results:

Water solubility reported as µg/mL and corrected for purity.
The average measured solubility for day1 was 357 µg/mL with %RSD of 0.9% (n=12); the average measured solubility for day 2 was 340 µg/mL with %RSD of 3.1% (n=12); the average measured solubility for day 3 was 380 µg/mL with %RSD of 5.5% (n=12). An overall average value of 359 µg/mL was reported. The overall %RSD was 5.6% (n=36).

Any other information on results incl. tables

Table 1. Water solubility results of MeFBSA

	Solubility Conc. (µg/mL)	Solubility Conc. (µg/mL)	Solubility Conc. (µg/mL)	Solubility Conc. (µg/mL)
Samples	Time Point 1 (One Day)	Time Point 2 (Two Days)	Time Point 3 (Three Days)	Inter-day Average
Vial 1, rep 1	358	341	359
Vial 1, rep 2	363	345	356
Vial 1, rep 3	353	359	361
Vial 1, rep 4	361	341	365
Vial 1 Average	359	346	360
Vial 1 RSD%	1.2%	2.5%	1.0%
Vial 2, rep 1	401	328	354
Vial 2, rep 2	332	314	391
Vial 2, rep 3	337	348	355
Vial 2, rep 4	344	322	417
Vial 2 Average	353	328	379
Vial 2 RSD%	9.0%	4.5%	8.1%
Vial 3, rep 1	369	347	378
Vial 3, rep 2	365	342	371
Vial 3, rep 3	352	351	448
Vial 3, rep 4	351	344	412
Vial 3 Average	359	346	402
Vial 3 RSD%	2.5%	1.1%	8.8%
Intra-day Average	357	340	380
Intra-day %RSD	0.9%	3.1%	5.5%
Inter-day Average				359
Inter-day %RSD				5.6%

Applicant's summary and conclusion

Conclusions:

Under the condition of the study, the water solubility of MeFBSA is 359 mg/L at 24-25 °C.

Executive summary:

The water solubility of MeFBSA was determined using a shake flask method according to OPPTS
830.7840 “Water Solubility: Column Elution Method; Shake Flask Method” and OECD Guideline for
Testing of Chemicals, Test No. 105 “Water Solubility”.

Triplicate samples were incubated for three time points at approximately 30°C with a shaker setting of
150 revolutions per minute (RPM). Test vessels were pulled at each time intervals and samples
were stored for overnight to equilibrate to ambient temperature. The test system vials were centrifuged and four aliquot samples were taken. The samples were diluted and analyzed by HPLC/MS.

Under conditions of this study, the average measured water solubility of MeFBSA was 359 mg/L (5.6% RSD).

This is a guideline study conducted under GLP compliance. Therefore, it is considered reliable without
restriction.